SCHEMBL2767372

SCHEMBL2767372

Fc1ccc2onc(NCc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.51
USP10 Q14694 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
USP13 Q92995 1/20 0.45
KCNN3 Q9UGI6 1/20 0.45
MAP2K4 P45985 2/20 0.43
PPARA Q07869 1/20 0.42
NTRK1 P04629 1/20 0.41
MAPK1 P28482 1/20 0.39
HTR3A P46098 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
VNN1 O95497 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2768006 0.84 EPHX2 (0.72) EPHX2KCNN3NTRK1MAPK8MAPK10
SCHEMBL2768924 0.82 EPHX2 (0.50) EPHX2USP10PIK3C3USP13MAP2K4
SCHEMBL2768706 0.80 EPHX2 (0.46) EPHX2USP10PIK3C3USP13MAP2K4
SCHEMBL2767423 0.76 EPHX2 (0.48) EPHX2KCNN3PPARANTRK1MAPK1
SCHEMBL16821788 0.74 EPHX2 (0.47) EPHX2KCNN3CYP3A4CYP2C9CYP2C19
SCHEMBL16821730 0.73 EPHX2 (0.43) EPHX2KCNN3CYP3A4CYP2C9CYP2C19
SCHEMBL2768550 0.72 EPHX2 (0.50) EPHX2USP10PIK3C3USP13MAP2K4
SCHEMBL2767484 0.72 ALDH1A1 (0.46) EPHX2USP10PIK3C3USP13MAP2K4
SCHEMBL16843233 0.71 EPHX2 (0.44) EPHX2KCNN3PPARACYP3A4CYP2C9
SCHEMBL16821816 0.71 EPHX2 (0.43) EPHX2NTRK1CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
EP-1881967-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2008-01-30 EP claimed
WO-2006122800-A1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 EPHX2 3694/4885USP10 3572/4885PIK3C3 3795/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.